#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005014.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005014
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1441
_journal_page_last    	1448
_publ_section_title    	
;
Five New Chlorochromates(VI) of Organic Bases
;
_chemical_formula_iupac    	'(C10 H10 N2) [Cr O3 Cl]2'
_chemical_formula_sum    	'C10 H10 Cl2 Cr2 N2 O6'
_chemical_formula_weight    	429.1
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	11.871(2)
_cell_length_b    	11.586(3)
_cell_length_c    	5.707(2)
_cell_angle_alpha    	90
_cell_angle_beta    	98.75(2)
_cell_angle_gamma    	90
_cell_volume    	775.8(2)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.837
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr(1) 0.19321(3) 0.01823(5) 0.17182(4) .0358(1)
Cl(1) 0.20261(3) 0.20643(2) 0.14810(6) .0501(3)
O(1) 0.0923(3) -0.0096(3) 0.3174(9) .0754(13)
O(2) 0.3142(2) -0.0233(3) 0.3060(6) .0572(10)
O(3) 0.1742(3) -0.0345(3) -0.0915(6) .0723(13)
N(1) 0.4499(2) 0.2935(2) 0.8964(5) .0398(8)
C(1) 0.4905(2) 0.0626(2) 0.9778(5) .0312(8)
C(2) 0.5407(3) 0.1463(3) 1.1358(7) .0439(10)
C(3) 0.5177(3) 0.2610(3) 1.0895(7) .0490(12)
C(4) 0.4001(4) 0.2168(3) 0.7402(7) .0483(12)
C(5) 0.4186(4) 0.1016(3) 0.7761(7) .0494(11)
H1N1 0.43510(20) 0.38440(20) 0.86280(50) ?
H2 0.59790(30) 0.12120(30) 1.29300(70) ?
H3 0.55480(30) 0.32570(30) 1.21420(70) ?
H4 0.34420(40) 0.24610(30) 0.58440(70) ?
H6 0.37770(40) 0.04020(30) 0.64840(70) ?